Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development

• Autor(a) principal: Autoria Múltipla - ver em notas
• Data de Publicação: 2022
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
• Texto Completo: https://www.arca.fiocruz.br/handle/icict/58051
• topic: Triagem abrangente de fragmentos do SARS-CoV-2; Proteome - novo espaço químico; Desenvolvimento de medicamentos; Comprehensive Fragment Screening of the SARS-CoV-2; Proteome Explores Novel Chemical Space; For Drug Development

Francisco Gomes Neto - Fundação 0swaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Toxinologia. Rio de Janeiro, RJ, Brasil. Demais Autores: Hannes Berg,[a,b‡] Maria A. Wirtz Martin,[a,b‡] Nadide Altincekic,[a,b‡] Islam Alshamleh,[a,b] Jasleen Kaur Bains,[a,b] Julius Blechar,[a] Betül Ceylan,[a,b] Vanessa de Jesus,[a,b] Karthikeyan Dhamotharan,[b,c] Christin Fuks,[a] Santosh L. Gande,[a,b] Bruno Hargittay,[a,b] Katharina F. Hohmann,[a,b] Marie T. Hutchison,[a,b] Sophie Marianne Korn,[b,c] Robin Krishnathas,[a,b] Felicitas Kutz,[a,b] Verena Linhard,[a,b] Tobias Matzel,[a,b] Nathalie Meiser,[a] Anna Niesteruk,[a,b] Dennis J. Pyper,[a,b] Linda Schulte,[a,b] Sven Trucks,[a] Kamal Azzaoui,[d] Marcel J. J. Blommers,[d] Yojana Gadiya,[e,f] Reagon Karki,[e,f] Andrea Zaliani,[e,f] Philip Gribbon,[e,f] Marcius da Silva Almeida,[g,h] Cristiane Dinis Anobom,[i,j] Anna L. Bula,[k] Matthias Bütikofer,[l] Ícaro Putinhon Caruso,[g,m] Isabella Caterina Felli,[n,o] Andrea T. Da Poian,[g] Gisele Cardoso de Amorim,[g,p] Nikolaos K. Fourkiotis,[q] Angelo Gallo,[q,r] Dhiman Ghosh, i,s] Oksana Gorbatyuk,[t] Bing Hao,[t] Vilius Kurauskas,[u] Lauriane Lecoq,[v] Yunfeng Li,[t] Nathane Cunha Mebus-Antunes,[g] Miguel Mompeán,[w] Thais Cristtina Neves-Martins,[g] Martí Ninot-Pedrosa,[v] Anderson S. Pinheiro,[j] Letizia Pontoriero,[n,o] Yulia Pustovalova,[t] Roland Riek,[l] Angus J. Robertson,[x] Marie Jose Abi Saad,[y] Miguel Á. Treviño,[w] Aikaterini C. Tsika,[q] Fabio C. L. Almeida,[g,i] Ad Bax,[x] Katherine Henzler-Wildman,[u] Jeffrey C. Hoch,[t] Kristaps Jaudzems,[k] Douglas V. Laurents,[w] Julien Orts,[y] Roberta Pierattelli,[n,o] Georgios A. Spyroulias,[q] Elke Duchardt-Ferner,[b,c] Jan Ferner,[a,b] Boris Fürtig,[a,b] Martin Hengesbach,[a] Frank Löhr,[b,c] Nusrat Qureshi,[a,b] Christian Richter,[a,b] Krishna Saxena,[a,b] Andreas Schlundt,[b,c] Sridhar Sreeramulu,[a,b] Anna Wacker,[a,b] Julia E. Weigand,[z] Julia Wirmer-Bartoschek,[a,b] Jens Wöhnert,[b,c] and Harald Schwalbe*[a,b]. Notas- Instituições: [a,b] H. Berg[‡], M. A. Wirtz Martin[‡], N. Altincekic[‡], Dr. I. Alshamleh, J. K. Bains, J. Blechar, B. Ceylan, V. de Jesus, C. Fuks, Dr. S. L. Gande, B. Hargittay, K. F. Hohmann, M. T. Hutchison, R. Krishnathas, F. Kutz, V. Linhard, T. Matzel, N. Meiser, Dr. A. Niesteruk, D. J. Pyper, Dr. L. Schulte, Dr. S. Trucks, Dr. J. Ferner, Dr. B. Fürtig, Dr. M. Hengesbach, Dr. N. Qureshi, Dr. C. Richter, Dr. K. Saxena, Dr. S. Sreeramulu, Dr. A. Wacker, Dr. J. Wirmer-Bartoschek, Dr. Prof. Dr. H. Schwalbe [a] Institute for Organic Chemistry and Chemical Biology, Goethe University Frankfurt, Frankfurt am Main, Germany [b] Center of Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Frankfurt am Main, Germany Max-von-LaueStrasse 7+9, 60438 Frankfurt am Main (Germany) E-mail: [e-mail] [b,c] K. Dhamotharan, Dr. S. M. Korn, Dr. E. Duchardt-Ferner, Dr. F. Löhr, Dr. A. Schlundt, Prof. Dr. J. Wöhnert [c] Institute for Molecular Biosciences, Goethe University Frankfurt, Frankfurt am Main, Germany Max-von-Laue Strasse 7+9, 60438 Frankfurt am Main (Germany) [d] Dr. K. Azzaoui, Dr. M. J. J. Blommers Saverna Therapeutics, Pumpmattenweg 3, 4105 Biel-Benken, Switzerland [e,f] Y. Gadiya, R. Karki, A. Zaliani, Dr. P. Gribbon [e] Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP), Screening Port, Schnackenburgallee 114, 22525 Hamburg, Germany [f] Fraunhofer Cluster of Excellence for Immune-Mediated Diseases (CIMD), Theodor-Stern-Kai 7, 60596 Frankfurt am Main, Germany [g,h] M. S. Almeida, A. T. Da Poian, N. C. Mebus-Antunes, T. C. Neves-Martins, F. C. L. Almeida [g] Institute of Medical Biochemistry, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil [h] Fraunhofer Cluster of Excellence for Immune-Mediated Diseases (CIMD), Theodor-Stern-Kai 7, 60596 Frankfurt am Main, Germany [i,j] C. D Anobom, A. S. Pinheiro [i] National Center of Nuclear Magnetic Resonance (CNRMN), CENABIO, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil [j] Department of Biochemistry, Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil [k] A. L. Bula, K. Jaudzems [k] Latvian Institute of Organic Synthesis, Aizkraukles 21, LV-1006 Riga, Latvia [l] M. Bütikofer, D. Ghosh, R. Riek [l] ETH, Swiss Federal Institute of Technology, Laboratory of Physical Chemistry, HCI F217, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland. [g,m] Í. P. Caruso [m] Multiuser Center for Biomolecular Innovation (CMIB), Department of Physics, São Paulo State University (UNESP), São José do Rio Preto, Brazil [n,o] I. C. Felli, L. Pontoriero, R. Pierattelli [n] Magnetic Resonance Center (CERM), University of Florence, Via Luigi Sacconi 6, Sesto Fiorentino, 50019, Florence, Italy [o] Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3-13, Sesto Fiorentino, 50019, Florence, Italy [g,p] G. C. de Amorim [p] Multidisciplinary Center for Research in Biology (NUMPEX), Campus Duque de Caxias Federal University of Rio de Janeiro, Duque de Caxias, Brazil [q] N. K. Fourkiotis, A. C. Tsika, G. A. Spyroulias [q] Department of Pharmacy, University of Patras, Patras, Greece [q,r] A. Gallo, [r] Department of Chemistry, University of Torino IT -10126 Torino. Italy [i,s] F. Gomes-Neto [s] Laboratory of Toxinology, Oswaldo Cruz Foundation (FIOCRUZ), Rio de Janeiro, Brazil [t] O. Gorbatyuk, B. Hao, Y. Li, Y. Pustovalova, J. C. Hoch [t] Department of Molecular Biology and Biophysics UConn Health 263 Farmington Ave., Farmington, CT 06030-3305 USA [u] V. Kurauskas, K. Henzler-Wildman [u] Department of Biochemistry, University of Wisconsin-Madison, Madison, WI 53706 [v] L. Lecoq, M. Ninot-Pedrosa [v] Molecular Microbiology and Structural Biochemistry, UMR5086 CNRS/Université Lyon 1, 7, passage du Vercors, 69367 Lyon, France.